SCHEMBL3168233

SCHEMBL3168233

C[C@@H]1CN(c2cn(S(=O)(=O)c3cccc4c3NC(=O)CO4)c3cccnc23)CCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.35
PRKCQ Q04759 4/20 0.35
PRKCD Q05655 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKD1 Q15139 1/20 0.35
TSHR P16473 1/20 0.34
GFER P55789 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3169009 1.00 HTR6 (0.35) HTR6PRKCQPRKCDCYP3A4CYP2D6
SCHEMBL3185525 1.00 HTR6 (0.35) HTR6PRKCQPRKCDCYP3A4CYP2D6
SCHEMBL3621375 0.88 HTR6 (0.44) HTR6CYP3A4NFKB1TSHRHTR1A
SCHEMBL3189384 0.83 HTR6 (0.36) HTR6PRKCQPRKCDCYP3A4CYP2D6
SCHEMBL3173604 0.83 HTR6 (0.36) HTR6PRKCQPRKCDCYP3A4CYP2D6
SCHEMBL3183373 0.83 HTR6 (0.36) HTR6PRKCQPRKCDCYP3A4CYP2D6
SCHEMBL3189436 0.80 HTR6 (0.45) HTR6PRKCQPRKCDCYP3A4CYP2D6
SCHEMBL3168969 0.80 HTR6 (0.45) HTR6PRKCQPRKCDCYP3A4CYP2D6
SCHEMBL3185965 0.80 HTR6 (0.45) HTR6PRKCQPRKCDCYP3A4CYP2D6
SCHEMBL3617687 0.79 HTR6 (0.35) HTR6CYP3A4TSHRGFERHTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010008832-A1 PYRROLO-PYRIDINE-3-YL-PIPERAZINE DERIVATIVES HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 WO disclosed
US-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 US disclosed
US-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 US disclosed
US-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100016297-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR3A HTR6 1/4885PRKCQ 3039/4885PRKCD 3690/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.